(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid

C11H17N3O5 — CID 93263187

IUPAC(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCN1C(=O)NC(C)(C)C1=O)C(=O)O
InChIInChI=1S/C11H17N3O5/c1-6(8(16)17)12-7(15)4-5-14-9(18)11(2,3)13-10(14)19/h6H,4-5H2,1-3H3,(H,12,15)(H,13,19)(H,16,17)/t6-/m0/s1
InChIKeyPFAZKGILSLVAHZ-LURJTMIESA-N
MW271.27 g/mol
LogP-0.70
Rot. Bonds5

About (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid

(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid (PubChem CID 93263187) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
PubChem CID93263187
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCN1C(=O)NC(C)(C)C1=O)C(=O)O
InChIInChI=1S/C11H17N3O5/c1-6(8(16)17)12-7(15)4-5-14-9(18)11(2,3)13-10(14)19/h6H,4-5H2,1-3H3,(H,12,15)(H,13,19)(H,16,17)/t6-/m0/s1
InChIKeyPFAZKGILSLVAHZ-LURJTMIESA-N
XLogP-0.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517031
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825428
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 18111423
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid (CID 93263187) is (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid is C[C@H](NC(=O)CCN1C(=O)NC(C)(C)C1=O)C(=O)O.
What is the InChIKey of (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid?
The InChIKey is PFAZKGILSLVAHZ-LURJTMIESA-N. The full InChI is InChI=1S/C11H17N3O5/c1-6(8(16)17)12-7(15)4-5-14-9(18)11(2,3)13-10(14)19/h6H,4-5H2,1-3H3,(H,12,15)(H,13,19)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid?
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 93263187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).